Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fc103d7c2f7ce4c4488fb85b025fced",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 60.02,
"b": 60.02,
"c": 110.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.560,1.670],
"number_observations": 305930,
"number_observations_unique": 24137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 21229,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.338
},
{
"type": "R(meas)",
"value": 2.441
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [40.560,7.470],
"number_observations": 3611,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}